Information card for entry 1512981

Structure parameters

• Formula: C18 H14 Cl2 Cu0.5 N3 O2
• Calculated formula: C18 H14 Cl2 Cu0.5 N3 O2
• Title of publication: Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association
• Authors of publication: P. Mosae Selvakumar; E. Suresh; P.S. Subramanian
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 749 - 756
• a: 23.197 ± 0.002 Å
• b: 6.7034 ± 0.0006 Å
• c: 22.443 ± 0.002 Å
• α: 90°
• β: 90.918 ± 0.003°
• γ: 90°
• Cell volume: 3489.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No